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ReactionMechanismGenerator / ARC Public

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Gaussian unconverge trsh#758

Merged

calvinp0 merged 3 commits intomainReactionMechanismGenerator/ARC:mainfrom gaussian_unconverge_trshReactionMechanismGenerator/ARC:gaussian_unconverge_trshCopy head branch name to clipboard

Aug 15, 2024

+23,270-14

Conversation Commits3 (3)Checks Files changed

Commits

Commits on Aug 12, 2024

Added Max Step Exceed Check and Inaccurate Quadrature Check
calvinp0
committed
Tests: Max Steps Exceeded & Inaccurate Quadrature (Gaussian09)
calvinp0
committed
Updated Gaussian Tests
calvinp0
committed

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